5-bromo-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide

C14H13BrN2O2 — CID 629359

IUPAC5-bromo-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cncc(Br)c2)cc1
InChIInChI=1S/C14H13BrN2O2/c1-19-13-4-2-10(3-5-13)7-17-14(18)11-6-12(15)9-16-8-11/h2-6,8-9H,7H2,1H3,(H,17,18)
InChIKeyGMGGOGVCZBNYOA-UHFFFAOYSA-N
MW321.17 g/mol
LogP2.78
Rot. Bonds4

About 5-bromo-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide

5-bromo-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 629359) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 5-bromo-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID629359
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name5-bromo-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cncc(Br)c2)cc1
InChIInChI=1S/C14H13BrN2O2/c1-19-13-4-2-10(3-5-13)7-17-14(18)11-6-12(15)9-16-8-11/h2-6,8-9H,7H2,1H3,(H,17,18)
InChIKeyGMGGOGVCZBNYOA-UHFFFAOYSA-N
XLogP2.78
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-((Phenethylamino)methyl)phenoxy)nicotinamide
CID 44434058
6-(4-((Benzylamino)methyl)phenoxy)nicotinamide
CID 44434949
9P7ZX5Bwv8
CID 9904911
N-(3-methoxyphenyl)nicotinamide
CID 668900
5-bromo-N-[2-(3-methylphenoxy)ethylcarbamothioyl]pyridine-3-carboxamide
CID 1776723
N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 532821
N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 2303641
N-(4-bromo-2-(trifluoromethoxy)benzyl)-6-(3,3,3-trifluoropropoxy)nicotinamide
CID 45487839
5-bromo-N-[2-(2-isopropylphenoxy)ethyl]nicotinamide
CID 1811200
5,6-dichloro-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 2487093
N-[3-(2-p-Tolyloxy-acetylamino)-propyl]-nicotinamide
CID 2988570
N-[3-(3-Methoxy-benzoylamino)-propyl]-nicotinamide
CID 2989253

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide (CID 629359) is 5-bromo-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide is COc1ccc(CNC(=O)c2cncc(Br)c2)cc1.
What is the InChIKey of 5-bromo-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is GMGGOGVCZBNYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-19-13-4-2-10(3-5-13)7-17-14(18)11-6-12(15)9-16-8-11/h2-6,8-9H,7H2,1H3,(H,17,18).
What are the key properties of 5-bromo-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
5-bromo-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 321.17 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 629359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).